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	hartrees
Energy at 0K	-1709.334919
Energy at 298.15K	-1709.338026
HF Energy	-1709.334919
Nuclear repulsion energy	433.916424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3000	2959	0.53
2	A₁	1265	1247	21.58
3	A₁	738	728	73.14
4	A₁	430	424	20.66
5	A₁	225	222	11.94
6	A₂	162	160	0.00
7	E	3099	3057	0.23
7	E	3099	3057	0.23
8	E	1413	1394	3.34
8	E	1413	1394	3.34
9	E	813	801	92.57
9	E	813	801	92.58
10	E	564	557	143.19
10	E	564	557	143.21
11	E	211	208	2.41
11	E	211	208	2.41
12	E	149	147	0.75
12	E	149	147	0.75

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.121
Cl3	0.000	1.939	-0.467
Cl4	1.679	-0.969	-0.467
Cl5	-1.679	-0.969	-0.467
H6	0.000	-1.035	2.498
H7	0.896	0.517	2.498
H8	-0.896	0.517	2.498

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8634	2.0697	2.0697	2.0697	2.4676	2.4676	2.4676
C2	1.8634		3.2336	3.2336	3.2336	1.1011	1.1011	1.1011
Cl3	2.0697	3.2336		3.3581	3.3581	4.1989	3.4078	3.4078
Cl4	2.0697	3.2336	3.3581		3.3581	3.4078	3.4078	4.1989
Cl5	2.0697	3.2336	3.3581	3.3581		3.4078	4.1989	3.4078
H6	2.4676	1.1011	4.1989	3.4078	3.4078		1.7920	1.7920
H7	2.4676	1.1011	3.4078	3.4078	4.1989	1.7920		1.7920
H8	2.4676	1.1011	3.4078	4.1989	3.4078	1.7920	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.014	Si1	C2	H7	110.014
Si1	C2	H8	110.014	C2	Si1	Cl3	110.488
C2	Si1	Cl4	110.488	C2	Si1	Cl5	110.488
Cl3	Si1	Cl4	108.435	Cl3	Si1	Cl5	108.435
Cl4	Si1	Cl5	108.435	H6	C2	H7	108.923
H6	C2	H8	108.923	H7	C2	H8	108.923

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Si	0.527
2	C	-0.552
3	Cl	-0.169
4	Cl	-0.169
5	Cl	-0.169
6	H	0.177
7	H	0.177
8	H	0.177

<r²>	288.549
(<r²>)^1/2	16.987

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)